2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)

C60H102N18 — CID 159055777

IUPAC2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccnnc1C.Cc1ccnnc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C.Cc1nnc(C)c(C)n1.Cc1nnc(C)c(C)n1
InChIInChI=1S/2C6H9N3.6C6H8N2.6C2H6/c2*1-4-5(2)8-9-6(3)7-4;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;2*1-5-3-4-7-8-6(5)2;6*1-2/h2*1-3H3;6*3-4H,1-2H3;6*1-2H3
InChIKeyJXVNYHCPCACVJT-UHFFFAOYSA-N
MW1075.60 g/mol
LogP14.31
Rot. Bonds

About 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)

2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine) (PubChem CID 159055777) has the molecular formula C60H102N18 and a molecular weight of 1075.60 g/mol. Its IUPAC name is 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine).

Molecular Properties

Compound Name2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
PubChem CID159055777
Molecular FormulaC60H102N18
Molecular Weight1075.60 g/mol
Exact Mass1074.85
IUPAC Name2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)
SMILESCC.CC.CC.CC.CC.CC.Cc1ccnnc1C.Cc1ccnnc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C.Cc1nnc(C)c(C)n1.Cc1nnc(C)c(C)n1
InChIInChI=1S/2C6H9N3.6C6H8N2.6C2H6/c2*1-4-5(2)8-9-6(3)7-4;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;2*1-5-3-4-7-8-6(5)2;6*1-2/h2*1-3H3;6*3-4H,1-2H3;6*1-2H3
InChIKeyJXVNYHCPCACVJT-UHFFFAOYSA-N
XLogP14.31
TPSA232.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.60
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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Related Compounds

2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
CID 158549407
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
3,4-dimethylpyridazine;ethane;propane
CID 164863019
butane;3,4-dimethylpyridazine;ethane
CID 142319830
1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
CID 158785175
3,4-dimethylpyridazine;isocyanic acid
CID 175351982
1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine;4,5,6-trimethylpyrimidine
CID 159225546
4,5-dimethyltriazine;ethane
CID 143657712
bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylcyclohexa-2,5-dien-1-one;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);3,4-dimethylpyridine;5,6-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidin-2-one
CID 159992863

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)?
The IUPAC name of 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine) (CID 159055777) is 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine).
What is the SMILES notation for 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)?
The canonical SMILES for 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine) is CC.CC.CC.CC.CC.CC.Cc1ccnnc1C.Cc1ccnnc1C.Cc1cncnc1C.Cc1cncnc1C.Cc1cnncc1C.Cc1nccnc1C.Cc1nnc(C)c(C)n1.Cc1nnc(C)c(C)n1.
What is the InChIKey of 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)?
The InChIKey is JXVNYHCPCACVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3.6C6H8N2.6C2H6/c2*1-4-5(2)8-9-6(3)7-4;2*1-5-3-7-4-8-6(5)2;1-5-3-7-8-4-6(5)2;1-5-6(2)8-4-3-7-5;2*1-5-3-4-7-8-6(5)2;6*1-2/h2*1-3H3;6*3-4H,1-2H3;6*1-2H3.
What are the key properties of 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine)?
2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine) has a molecular weight of 1075.60 g/mol, XLogP of 14.31, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpyrazine;bis(3,4-dimethylpyridazine);4,5-dimethylpyridazine;bis(4,5-dimethylpyrimidine);ethane;bis(3,5,6-trimethyl-1,2,4-triazine) is sourced from PubChem (CID 159055777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).